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CHEMBRIDGE-ZINC04011391

 MMsINC code: MMs00759034
Type: Neutral
Formula: C25H26FNO
SMILES:   Fc1ccc(cc1)C1(O)CC(NC(C1CC)c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26FNO/c1-2-22-24(19-11-7-4-8-12-19)27-23(18-9-5-3-6-10-18)17-25(22,28)20-13-15-21(26)16-14-20/h3-16,22-24,27-28H,2,17H2,1H3/t22-,23-,24-,25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.487 g/mol  logS: -6.02299  SlogP: 6.0179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26494  Sterimol/B1: 1.969  Sterimol/B2: 6.45691  Sterimol/B3: 7.12401
  Sterimol/B4: 7.2734  Sterimol/L: 13.5147 
 
 Surface and Volume Properties
  Accessible surface: 622.371  Positive charged surface: 344.539  Negative charged surface: 277.832  Volume: 377.75
  Hydrophobic surface: 582.65  Hydrophilic surface: 39.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00759035
CHEMBRIDGE-ZINC04011391